1,3-bis(2-methyl-3-phenyl-benzimidazol-1-ium-1-yl)propan-2-one diperchlorate

Systemtic Name: 1,3-bis(2-methyl-3-phenyl-benzimidazol-1-ium-1-yl)propan-2-one diperchlorate Openeye Name: 1,3-bis(2-methyl-3-phenyl-benzimidazol-1-ium-1-yl)propan-2-one diperchlorate CAS Name: 1,3-bis(2-methyl-3-phenyl-1-benzimidazol-1-iumyl)-2-propanone diperchlorate IUPAC Name: 1,3-bis(2-methyl-3-phenylbenzimidazol-1-ium-1-yl)propan-2-one diperchlorate Traditional Name: 1,3-bis(2-methyl-3-phenyl-benzimidazol-1-ium-1-yl)acetone diperchlorate Formula: C31H28Cl2N4O9 MolecularWeight: 671.48142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2N1C3=CC=CC=C3)CC(=O)C[N+]4=C(N(C5=CC=CC=C54)C6=CC=CC=C6)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2N1C3=CC=CC=C3)CC(=O)C[N+]4=C(N(C5=CC=CC=C54)C6=CC=CC=C6)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C31H28N4O.2ClHO4/c1-23-32(28-17-9-11-19-30(28)34(23)25-13-5-3-6-14-25)21-27(36)22-33-24(2)35(26-15-7-4-8-16-26)31-20-12-10-18-29(31)33;2*2-1(3,4)5/h3-20H,21-22H2,1-2H3;2*(H,2,3,4,5)/q+2;;/p-2